Rearrangement of [B2O5] Dimers within [B7O14] Clusters Enables Enhanced Optical Anisotropy in Li3Cs6Al2B14O28F

Xingqi Li; Dongdong Chu; Wenqi Jin; Zhihua Yang; Shilie Pan; Miriding Mutailipu

doi:10.1021/acs.inorgchem.2c02347

Rearrangement of [B₂O₅] Dimers within [B₇O₁₄] Clusters Enables Enhanced Optical Anisotropy in Li₃Cs₆Al₂B₁₄O₂₈F

Inorg Chem. 2022 Aug 8;61(31):12067-12072. doi: 10.1021/acs.inorgchem.2c02347. Epub 2022 Jul 27.

Authors

Xingqi Li^{1

2}, Dongdong Chu^{1

2}, Wenqi Jin^{1

2}, Zhihua Yang^{1

2}, Shilie Pan^{1

2}, Miriding Mutailipu^{1

2}

Affiliations

¹ Research Center for Crystal Materials, CAS Key Laboratory of Functional Materials and Devices for Special Environments, Xinjiang Technical Institute of Physics and Chemistry, CAS, 40-1 South Beijing Road, Urumqi 830011, China.
² Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing 100049, China.

PMID: 35894746
DOI: 10.1021/acs.inorgchem.2c02347

Abstract

Borates with tunable structure and property currently provide a new rich source for solid-state chemistry and materials science. Realization of property improvement via simple structural regulation is a rising hot spot of borate-based research. Herein, a new aluminoborate fluoride, Li₃Cs₆Al₂B₁₄O₂₈F, with [B₇O₁₄] clusters was discovered, and it was found to melt congruently. The optimally aligned [B₂O₅] dimers within [B₇O₁₄] clusters make Li₃Cs₆Al₂B₁₄O₂₈F an enhanced birefringence, which is about 4.3× higher than its congener compound Li₄Cs₃B₇O₁₄ with same [B₇O₁₄] clusters. Structural analysis and additional theoretical calculations have revealed the origin of enhanced optical anisotropy.